1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one

C16H15NO3S — CID 115945293

IUPAC1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1ccc(O)c2ccccc12
InChIInChI=1S/C16H15NO3S/c18-13-7-8-14(12-5-2-1-4-11(12)13)21-10-16(20)17-9-3-6-15(17)19/h1-2,4-5,7-8,18H,3,6,9-10H2
InChIKeyJKDYLLCZUWBTRG-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.79
Rot. Bonds3

About 1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one

1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one (PubChem CID 115945293) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one
PubChem CID115945293
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1ccc(O)c2ccccc12
InChIInChI=1S/C16H15NO3S/c18-13-7-8-14(12-5-2-1-4-11(12)13)21-10-16(20)17-9-3-6-15(17)19/h1-2,4-5,7-8,18H,3,6,9-10H2
InChIKeyJKDYLLCZUWBTRG-UHFFFAOYSA-N
XLogP2.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]-1,3-oxazolidin-2-one
CID 115945174
1-[2-(2-amino-3-methylphenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79146924
2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2632456
1-[2-(2-amino-5-fluorophenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79143623
1-[2-(4-amino-2-methoxyphenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79830626
1-[2-(5-amino-2-chlorophenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79134547
3-(4-fluorophenyl)-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 2631716
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanyl-3-phenylpropanoic acid
CID 60794331
1-[2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one
CID 2536355
2-[(4-hydroxynaphthalen-1-yl)sulfanylmethyl]isoindole-1,3-dione
CID 130649551
1-[2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetyl]pyrrolidin-2-one
CID 7606641

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one (CID 115945293) is 1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one is O=C1CCCN1C(=O)CSc1ccc(O)c2ccccc12.
What is the InChIKey of 1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one?
The InChIKey is JKDYLLCZUWBTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-13-7-8-14(12-5-2-1-4-11(12)13)21-10-16(20)17-9-3-6-15(17)19/h1-2,4-5,7-8,18H,3,6,9-10H2.
What are the key properties of 1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one?
1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one has a molecular weight of 301.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxynaphthalen-1-yl)sulfanylacetyl]pyrrolidin-2-one is sourced from PubChem (CID 115945293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).